3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione

C10H10N2OS — CID 3035523

IUPAC3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione
SMILESOc1ccc(Cn2cc[nH]c2=S)cc1
InChIInChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
InChIKeyWVWZHFJGVDNBDA-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.30
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione

3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione (PubChem CID 3035523) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione
PubChem CID3035523
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione
SMILESOc1ccc(Cn2cc[nH]c2=S)cc1
InChIInChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
InChIKeyWVWZHFJGVDNBDA-UHFFFAOYSA-N
XLogP2.30
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione (CID 3035523) is 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione is Oc1ccc(Cn2cc[nH]c2=S)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione?
The InChIKey is WVWZHFJGVDNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione?
3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 3035523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).